==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-JUL-12 3VVG . COMPND 2 MOLECULE: 458AA LONG HYPOTHETICAL ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.ISHIKAWA,Y.MAENO,M.KATAOKA . 1131 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 776 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 86 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 6 3 0 0 5 0 3 1 0 0 3 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 1 12 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 1 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 34 A Q 0 0 164 0, 0.0 19,-0.0 0, 0.0 210,-0.0 0.000 360.0 360.0 360.0 -43.7 26.8 24.0 43.7 2 35 A T - 0 0 30 210,-0.1 3,-0.4 5,-0.1 5,-0.1 -0.762 360.0-159.7-166.6 124.7 23.5 23.2 45.7 3 36 A P S S+ 0 0 79 0, 0.0 155,-0.1 0, 0.0 4,-0.1 0.542 97.8 46.0 -74.4 -3.5 19.7 24.1 45.5 4 37 A T S S- 0 0 38 2,-0.4 154,-0.1 153,-0.1 3,-0.1 0.551 108.4-108.2-114.6 -9.8 19.3 23.2 49.3 5 38 A G S S+ 0 0 25 -3,-0.4 15,-3.2 1,-0.3 16,-0.4 0.050 94.5 93.8 97.4 -22.5 22.1 24.9 51.2 6 39 A I E -A 19 0A 24 13,-0.2 2,-0.4 14,-0.1 -2,-0.4 -0.827 52.1-172.6-110.4 136.9 23.7 21.4 51.8 7 40 A Y E -A 18 0A 28 11,-2.0 11,-2.5 -2,-0.4 2,-0.3 -0.998 12.6-150.1-127.1 128.8 26.3 19.7 49.6 8 41 A Y E +A 17 0A 0 205,-2.3 2,-0.3 -2,-0.4 9,-0.2 -0.786 24.9 158.7 -97.5 143.7 27.3 16.1 50.2 9 42 A E E -A 16 0A 20 7,-2.1 7,-3.7 -2,-0.3 2,-0.5 -0.990 35.4-122.5-156.0 163.4 30.8 14.8 49.4 10 43 A V E -A 15 0A 6 247,-2.0 2,-0.5 -2,-0.3 5,-0.2 -0.903 17.0-170.5-104.6 135.1 33.2 12.0 50.3 11 44 A R E > S-A 14 0A 103 3,-2.6 3,-2.0 -2,-0.5 2,-0.3 -0.985 71.0 -40.5-125.5 119.9 36.6 12.8 51.7 12 45 A G T 3 S- 0 0 34 -2,-0.5 292,-0.4 1,-0.3 750,-0.0 -0.451 125.1 -27.0 60.5-118.4 38.7 9.6 51.8 13 46 A D T 3 S+ 0 0 17 -2,-0.3 2,-0.4 290,-0.2 292,-0.3 0.292 120.2 90.0-107.4 17.0 36.3 6.9 52.8 14 47 A T E < -A 11 0A 18 -3,-2.0 -3,-2.6 290,-0.1 2,-0.4 -0.899 68.0-131.8-118.0 139.2 33.9 9.1 54.9 15 48 A I E -AB 10 28A 0 13,-0.5 13,-3.2 -2,-0.4 2,-0.3 -0.690 25.7-167.0 -86.2 140.1 30.8 10.9 53.8 16 49 A Y E -AB 9 27A 29 -7,-3.7 -7,-2.1 -2,-0.4 2,-0.5 -0.926 18.1-146.0-127.2 148.9 30.3 14.6 54.8 17 50 A M E -AB 8 26A 40 9,-2.6 9,-2.1 -2,-0.3 2,-0.5 -0.950 20.9-160.5-108.5 129.3 27.5 17.1 54.8 18 51 A I E -AB 7 25A 19 -11,-2.5 -11,-2.0 -2,-0.5 2,-0.8 -0.943 15.8-147.5-113.2 124.2 28.6 20.6 54.1 19 52 A N E > -A 6 0A 65 5,-2.8 4,-2.1 -2,-0.5 -13,-0.2 -0.824 18.0-158.6 -81.2 111.2 26.5 23.7 55.0 20 53 A V T 4 S+ 0 0 56 -15,-3.2 -1,-0.2 -2,-0.8 -14,-0.1 0.924 84.4 48.9 -71.9 -34.4 27.6 25.9 52.0 21 54 A T T 4 S+ 0 0 133 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.958 121.5 33.1 -61.0 -55.4 26.7 29.3 53.7 22 55 A S T 4 S- 0 0 61 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.747 97.9-134.0 -78.3 -21.4 28.4 28.6 57.0 23 56 A G < + 0 0 43 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.425 54.0 147.4 84.9 -9.9 31.2 26.5 55.6 24 57 A E - 0 0 135 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.4 -0.494 30.3-162.8 -70.7 141.7 30.7 23.9 58.4 25 58 A E E -B 18 0A 85 -7,-0.2 -7,-0.2 -2,-0.2 -9,-0.0 -0.944 6.7-175.6-124.8 131.1 31.4 20.2 57.5 26 59 A T E -B 17 0A 69 -9,-2.1 -9,-2.6 -2,-0.4 2,-0.1 -1.000 25.2-125.4-131.9 131.6 30.1 17.2 59.6 27 60 A P E -B 16 0A 66 0, 0.0 2,-0.4 0, 0.0 -11,-0.3 -0.489 30.9-157.2 -72.0 140.7 30.9 13.5 59.0 28 61 A I E -B 15 0A 9 -13,-3.2 -13,-0.5 -2,-0.1 2,-0.4 -0.936 11.3-157.1-117.5 156.3 27.9 11.5 58.7 29 62 A H - 0 0 69 -2,-0.4 2,-0.7 -15,-0.1 311,-0.1 -0.987 15.3-137.8-128.1 136.6 27.2 7.8 59.1 30 63 A L + 0 0 0 -2,-0.4 311,-2.7 35,-0.0 2,-0.9 -0.862 19.0 179.7-100.6 111.4 24.3 6.0 57.5 31 64 A F E +c 341 0B 38 -2,-0.7 35,-2.1 309,-0.2 36,-1.1 -0.885 38.9 177.7-105.2 92.2 22.6 3.5 59.9 32 65 A G E -cd 342 67B 0 309,-1.6 311,-2.4 -2,-0.9 2,-0.3 -0.633 35.1-167.2-119.3 155.5 20.1 2.6 57.2 33 66 A V E -cd 343 68B 0 34,-1.8 36,-2.3 309,-0.3 2,-0.5 -0.989 25.2-124.3-130.1 150.1 17.2 0.4 56.3 34 67 A N E - d 0 69B 0 309,-2.5 312,-3.6 -2,-0.3 2,-0.6 -0.789 19.4-170.8 -83.5 126.0 15.5 -0.4 53.0 35 68 A W - 0 0 0 34,-1.9 3,-0.3 -2,-0.5 2,-0.2 -0.923 20.9-169.7-114.6 101.5 11.8 0.3 52.9 36 69 A F + 0 0 13 -2,-0.6 10,-2.6 1,-0.1 36,-0.1 -0.527 42.6 90.9 -94.1 168.1 10.7 -1.2 49.6 37 70 A G > + 0 0 0 8,-0.3 3,-1.8 -2,-0.2 7,-1.1 -0.016 64.4 85.9 140.9 -34.0 7.4 -1.0 47.6 38 71 A F T 3 S+ 0 0 0 33,-0.4 35,-1.1 -3,-0.3 38,-0.2 0.807 91.4 54.4 -66.3 -20.6 7.7 1.9 45.2 39 72 A E T 3 S+ 0 0 3 33,-0.3 -1,-0.3 32,-0.2 33,-0.1 0.274 103.7 75.1 -89.6 8.9 9.5 -0.4 42.7 40 73 A T S X S- 0 0 7 -3,-1.8 3,-2.0 4,-0.1 87,-0.2 -0.649 100.8 -90.3-116.2 177.8 6.5 -2.9 42.8 41 74 A P T 3 S+ 0 0 74 0, 0.0 86,-0.1 0, 0.0 -3,-0.1 0.759 122.1 65.7 -63.7 -20.2 2.9 -3.2 41.5 42 75 A N T 3 S- 0 0 35 -5,-0.1 42,-2.0 2,-0.1 -4,-0.1 0.790 91.4-151.4 -65.5 -24.1 1.7 -1.5 44.6 43 76 A H < + 0 0 28 -3,-2.0 2,-0.3 -6,-0.5 -5,-0.3 0.872 67.0 76.5 50.1 32.5 3.6 1.6 43.5 44 77 A V S S- 0 0 1 -7,-1.1 -1,-0.1 40,-0.1 -2,-0.1 -0.955 99.4 -80.3-159.9 155.7 4.0 2.6 47.2 45 78 A V - 0 0 0 -2,-0.3 3,-0.5 -8,-0.2 -8,-0.3 -0.282 61.5-111.0 -53.2 141.4 6.2 1.5 50.1 46 79 A H S S+ 0 0 14 -10,-2.6 -1,-0.1 1,-0.2 -8,-0.1 -0.236 88.9 53.2 -75.0 162.6 4.6 -1.7 51.5 47 80 A G >> + 0 0 0 38,-0.2 4,-2.4 -10,-0.1 3,-1.8 0.340 65.1 114.9 104.6 -7.3 2.8 -2.2 54.8 48 81 A L T 34 + 0 0 1 -3,-0.5 39,-2.9 1,-0.3 42,-0.2 0.399 67.9 67.5 -83.6 2.2 0.3 0.7 54.6 49 82 A W T 34 S+ 0 0 96 37,-0.3 -1,-0.3 41,-0.1 37,-0.1 0.449 118.1 24.7 -81.7 -7.8 -2.5 -1.8 54.6 50 83 A K T <4 S+ 0 0 74 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.517 126.4 40.5-131.4 -25.3 -1.5 -2.6 58.2 51 84 A R S < S- 0 0 30 -4,-2.4 2,-0.3 40,-0.0 -1,-0.3 -0.938 75.2-112.1-132.2 156.5 0.3 0.6 59.3 52 85 A N > - 0 0 32 -2,-0.3 4,-1.8 1,-0.1 39,-0.1 -0.643 34.2-129.5 -75.9 141.3 0.1 4.4 59.2 53 86 A W H > S+ 0 0 4 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.804 104.0 47.0 -71.5 -33.4 3.1 5.7 57.1 54 87 A E H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.871 107.2 56.0 -74.9 -38.9 4.3 8.2 59.6 55 88 A D H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.862 105.9 54.3 -57.9 -40.3 4.1 5.8 62.5 56 89 A M H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.938 108.7 46.9 -58.1 -47.2 6.4 3.5 60.5 57 90 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.889 112.2 50.1 -64.5 -42.0 8.9 6.3 60.1 58 91 A L H X S+ 0 0 76 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.897 110.9 50.1 -56.0 -45.1 8.7 7.1 63.8 59 92 A Q H X S+ 0 0 40 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.937 109.3 51.5 -61.8 -46.5 9.3 3.5 64.6 60 93 A I H ><>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 3,-0.6 0.938 113.0 44.8 -50.7 -51.2 12.3 3.4 62.2 61 94 A K H ><5S+ 0 0 72 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.902 106.3 60.0 -65.7 -36.9 13.8 6.5 64.0 62 95 A S H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 100.5 55.9 -64.5 -24.7 13.0 5.1 67.5 63 96 A L T <<5S- 0 0 23 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.374 123.8-105.0 -86.0 4.4 15.2 2.1 66.6 64 97 A G T < 5S+ 0 0 30 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.476 71.0 143.4 88.5 0.6 18.2 4.5 65.9 65 98 A F < - 0 0 0 -5,-1.6 -1,-0.3 1,-0.1 -33,-0.2 -0.505 25.4-178.2 -69.7 144.6 18.2 4.3 62.1 66 99 A N + 0 0 30 -35,-2.1 50,-2.7 1,-0.1 2,-0.3 0.156 61.4 51.6-123.5 16.2 19.1 7.7 60.5 67 100 A A E -de 32 116B 0 -36,-1.1 -34,-1.8 48,-0.3 2,-0.4 -0.999 55.3-162.3-157.4 145.4 18.8 6.7 56.8 68 101 A I E -de 33 117B 3 48,-2.9 50,-3.1 -2,-0.3 2,-0.6 -0.994 12.2-149.1-129.2 133.2 16.4 5.0 54.3 69 102 A R E -de 34 118B 0 -36,-2.3 -34,-1.9 -2,-0.4 50,-0.2 -0.952 20.1-158.5-101.2 127.1 17.2 3.6 51.0 70 103 A L E - e 0 119B 1 48,-2.7 50,-2.2 -2,-0.6 -34,-0.1 -0.921 1.0-154.7-117.6 99.6 14.0 4.0 48.9 71 104 A P E + e 0 120B 0 0, 0.0 -33,-0.4 0, 0.0 2,-0.3 -0.429 20.2 175.1 -69.2 146.1 13.7 1.7 45.8 72 105 A F E - e 0 121B 0 48,-2.2 50,-1.8 -34,-0.2 51,-1.2 -0.978 21.7-143.6-142.9 159.6 11.5 3.0 43.0 73 106 A C E > - e 0 123B 0 -35,-1.1 4,-0.8 -2,-0.3 3,-0.5 -0.760 38.4 -98.0-111.8 172.7 10.6 1.9 39.5 74 107 A T H >> S+ 0 0 15 50,-0.9 3,-1.2 49,-0.6 4,-0.7 0.924 119.7 50.7 -55.2 -45.8 10.0 4.2 36.5 75 108 A E H >4 S+ 0 0 106 49,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.826 101.1 62.6 -67.2 -30.2 6.3 4.3 36.7 76 109 A S H 34 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.743 104.8 46.8 -67.6 -21.3 6.2 5.2 40.4 77 110 A V H << S+ 0 0 10 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.616 91.3 95.4 -98.7 -9.4 8.1 8.4 39.7 78 111 A K S X< S- 0 0 43 -4,-0.7 3,-1.3 -3,-0.6 22,-0.3 -0.584 87.7-106.0 -77.6 133.6 5.8 9.5 36.8 79 112 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.239 101.4 33.2 -59.9 154.8 3.0 11.8 37.8 80 113 A G T 3 S+ 0 0 53 1,-0.3 2,-0.4 -4,-0.1 -4,-0.1 0.436 74.7 137.1 85.5 0.0 -0.4 10.2 37.9 81 114 A T < - 0 0 10 -3,-1.3 18,-3.2 -6,-0.2 19,-0.3 -0.694 47.2-138.3 -84.0 135.2 0.6 6.6 38.9 82 115 A Q - 0 0 106 -2,-0.4 2,-0.1 16,-0.2 16,-0.1 -0.737 8.3-128.3 -93.4 136.5 -1.9 5.3 41.5 83 116 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -40,-0.2 -0.509 19.4-148.8 -76.6 156.9 -0.9 3.4 44.5 84 117 A I + 0 0 96 -42,-2.0 -40,-0.1 1,-0.2 0, 0.0 -0.986 67.0 23.3-122.6 141.1 -2.6 0.0 45.3 85 118 A G S S+ 0 0 39 -2,-0.4 2,-0.5 1,-0.3 -38,-0.2 0.902 70.8 145.7 76.9 44.4 -3.3 -1.6 48.8 86 119 A I - 0 0 17 -3,-0.2 2,-0.9 -37,-0.1 -37,-0.3 -0.948 46.6-136.2-104.7 129.3 -3.2 1.4 51.2 87 120 A D > - 0 0 54 -39,-2.9 4,-1.6 -2,-0.5 3,-0.2 -0.813 19.8-168.7 -79.5 107.4 -5.6 1.2 54.2 88 121 A Y T 4 S+ 0 0 65 -2,-0.9 -1,-0.1 2,-0.2 6,-0.1 0.587 80.3 65.8 -84.9 -5.1 -6.9 4.8 54.1 89 122 A S T 4 S+ 0 0 97 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.898 112.7 37.6 -68.1 -40.4 -8.6 4.6 57.5 90 123 A K T 4 S+ 0 0 92 1,-0.2 -2,-0.2 -3,-0.2 3,-0.2 0.812 128.7 35.4 -77.4 -26.7 -5.0 4.3 58.8 91 124 A N >< + 0 0 0 -4,-1.6 3,-1.7 1,-0.1 -1,-0.2 -0.463 65.3 152.8-128.3 61.7 -3.6 6.8 56.2 92 125 A P G > S+ 0 0 69 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.816 72.5 60.4 -65.1 -30.5 -6.3 9.5 55.6 93 126 A D G 3 S+ 0 0 70 1,-0.3 -2,-0.1 -3,-0.2 -5,-0.0 0.516 97.0 61.8 -79.5 0.4 -3.8 12.1 54.6 94 127 A L G X S+ 0 0 0 -3,-1.7 3,-1.4 -6,-0.1 -1,-0.3 0.290 75.2 121.3 -94.3 2.1 -2.7 9.9 51.7 95 128 A R T < S+ 0 0 145 -3,-1.6 3,-0.1 1,-0.2 0, 0.0 -0.523 80.8 10.7 -68.9 129.1 -6.2 10.1 50.2 96 129 A G T 3 S+ 0 0 74 1,-0.3 2,-0.2 -2,-0.2 -1,-0.2 0.284 97.8 122.6 98.4 -16.8 -6.0 11.5 46.7 97 130 A L < - 0 0 35 -3,-1.4 -1,-0.3 4,-0.1 2,-0.1 -0.588 52.4-141.3 -87.7 144.2 -2.3 11.4 46.3 98 131 A D > - 0 0 19 -2,-0.2 4,-1.9 -16,-0.1 3,-0.4 -0.417 40.0 -84.9 -92.0-179.4 -0.6 9.5 43.5 99 132 A S H > S+ 0 0 0 -18,-3.2 4,-2.2 1,-0.2 5,-0.1 0.831 126.0 50.7 -54.8 -39.5 2.7 7.5 44.0 100 133 A L H > S+ 0 0 7 -19,-0.3 4,-2.5 -22,-0.3 -1,-0.2 0.898 107.8 50.4 -71.1 -39.5 4.9 10.4 43.5 101 134 A Q H > S+ 0 0 75 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.835 108.9 52.3 -70.7 -34.7 3.3 12.7 46.0 102 135 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.953 109.1 51.7 -62.2 -44.0 3.4 9.9 48.7 103 136 A M H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.918 110.6 47.7 -57.0 -43.3 7.1 9.6 47.9 104 137 A E H X S+ 0 0 39 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.914 112.0 49.2 -62.6 -42.5 7.6 13.4 48.4 105 138 A K H X S+ 0 0 73 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.873 112.3 48.7 -69.5 -36.4 5.6 13.4 51.7 106 139 A I H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.916 112.3 46.6 -71.3 -39.8 7.6 10.5 53.0 107 140 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.923 113.6 49.1 -69.4 -42.7 11.0 12.0 52.2 108 141 A K H X S+ 0 0 118 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.946 113.1 47.0 -61.1 -49.9 9.9 15.3 53.7 109 142 A K H X S+ 0 0 51 -4,-2.4 4,-1.3 2,-0.2 3,-0.2 0.917 111.9 51.6 -54.0 -47.9 8.7 13.6 56.9 110 143 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 3,-0.5 0.930 108.4 52.5 -58.2 -43.0 12.0 11.6 57.0 111 144 A G H ><5S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.863 101.2 57.9 -59.3 -33.1 13.8 14.8 56.7 112 145 A D H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.6 49.9 -66.2 -35.3 12.0 16.4 59.6 113 146 A L T <<5S- 0 0 54 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.241 121.7-107.8 -85.8 10.7 13.4 13.4 61.7 114 147 A G T < 5 + 0 0 35 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.711 69.6 151.9 74.2 11.4 16.9 14.0 60.5 115 148 A I < - 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